4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine

C11H21FN2 — CID 130921771

IUPAC4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(CC1(F)CC1)C1CCC(N)CC1
InChIInChI=1S/C11H21FN2/c1-14(8-11(12)6-7-11)10-4-2-9(13)3-5-10/h9-10H,2-8,13H2,1H3
InChIKeyKVRBRNQEZQTKNR-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.69
Rot. Bonds3

About 4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 130921771) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID130921771
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(CC1(F)CC1)C1CCC(N)CC1
InChIInChI=1S/C11H21FN2/c1-14(8-11(12)6-7-11)10-4-2-9(13)3-5-10/h9-10H,2-8,13H2,1H3
InChIKeyKVRBRNQEZQTKNR-UHFFFAOYSA-N
XLogP1.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine (CID 130921771) is 4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine is CN(CC1(F)CC1)C1CCC(N)CC1.
What is the InChIKey of 4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is KVRBRNQEZQTKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-14(8-11(12)6-7-11)10-4-2-9(13)3-5-10/h9-10H,2-8,13H2,1H3.
What are the key properties of 4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 200.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-fluorocyclopropyl)methyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 130921771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).